| SpectraBase Spectrum ID |
1D5PH1TG4 |
| Name |
Zolmitriptan 2PFP |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
579.121587730 u |
| Formula |
C22H19N3O4F10 |
| InChI |
InChI=1S/C22H19F10N3O4/c1-33(2)6-5-12-9-34(16(36)19(23,24)21(27,28)29)15-4-3-11(8-14(12)15)7-13-10-39-18(38)35(13)17(37)20(25,26)22(30,31)32/h3-4,8-9,13H,5-7,10H2,1-2H3 |
| InChIKey |
RWDMPYBVGWLVFX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
579.395 g/mol |
| SMILES |
c1c2[n](C(=O)C(F)(F)C(F)(F)F)cc(c2cc(CC2N(C(OC2)=O)C(C(F)(F)C(F)(F)F)=O)c1)CCN(C)C |
| SPLASH |
splash10-0a4i-9200000000-8907468bd2951d519171 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8387 |
